CHEMBL3314872


SMILES COc1ccc(CNc2ncc(C(=O)O)c3nc(-c4ccco4)nn23)cc1OC
InChIKey DNLBKTPXMZBOFK-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 395.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.27 5.27 5.27 ChEMBL
A1 AA1R Human Adenosine A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database